Theoretical investigation of the conduction and valence band offsets of GaAs1−x Nx/GaAs1−yNy heterointerfaces |
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Authors: | A. Gueddim |
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Affiliation: | a Department of Electronics, University of Djelfa, 17000 Djelfa, Algeria b Department of Physics, Faculty of Science, King Khalid University, Abha, P.O. Box 9004, Saudi Arabia |
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Abstract: | Theoretical investigations of the conduction band offset (CBO) and valence band offset (VBO) of the relaxed and pseudo-morphically strained GaAs1−xNx/GaAs1−yNy heterointerfaces at various nitrogen concentrations (x and y) within the range 0-0.05 and along the [0 0 1] direction are performed by means of the model-solid theory combined with the empirical pseudopotential method under the virtual crystal approximation that takes into account the effects of the compositional disorder. It has been found that for y < x, the CBO and VBO have negative and positive signs, respectively, whereas the reverse is seen when y > x. The band gap of the GaAs1−xNx over layer falls completely inside the band gap of the substrate GaAs1−yNy and thus the alignment is of type I (straddling) for y < x. When y > x, the alignment remains of type I but in this case it is the band gap of the substrate GaAs1−yNy which is fully inside the band gap of the GaAs1−xNx over layer. Besides the CBO, the VBO and the relaxed/strained band gap of two particular cases: GaAs1−xNx/GaAs and GaAs1−xNx/GaAs0.98N0.02 heterointerfaces have been determined. |
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Keywords: | 71.20.Nr 71.15.&minus m 71.15.Dx |
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